Geometry & MOs

Info

ID:	22381
PubChem CID:	597088
Reduced:	NSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	211.030314
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	8.28
IP(EA), eV:	-8.1(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carboxy-5-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-4-ium-8-olate

Drug info:

PubChemData

Smile

CC1=[N+]2C(CSC2=C(C=C1)[O-])C(=O)O

DOS

IR

Vibrations